SCHEMBL8668343

SCHEMBL8668343

C=CC(=C)C.CC=CC=C[Ti+3].C[N-]C.C[N-]C.C[N-]C

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8667345 0.86
SCHEMBL8669988 0.85
Butadiene SCHEMBL8665431 0.81
SCHEMBL8665680 0.81 ALDH1A1 (0.33) ALDH1A1
SCHEMBL14892679 0.81 ALDH1A1 (0.67) ALDH1A1TP53TSHR
SCHEMBL14892680 0.81 ALDH1A1 (0.67) ALDH1A1TP53TSHR
SCHEMBL4344301 0.71 ALDH1A1 (0.59) ALDH1A1TP53TSHR
SCHEMBL11529580 0.71 ALDH1A1 (0.59) ALDH1A1TP53TSHR
SCHEMBL1264689 0.71 ALDH1A1 (0.59) ALDH1A1TP53TSHR
SCHEMBL8670107 0.69

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0767804-B1 POLYMERIZATION PROCESS USING DIENE CONTAINING CATALYSTS DOW CHEMICAL CO (US) 1998-12-09 EP disclosed
US-5646084-A OLEFIN POLYMERIZATION USING TITANIUM COMPLEX CATALYST AND ACTIVATING COCATALYST THE DOW CHEMICAL COMPANY (US) 1997-07-08 US disclosed
EP-0767804-A1 POLYMERIZATION PROCESS USING DIENE CONTAINING CATALYSTS THE DOW CHEMICAL COMPANY (US) 1997-04-16 EP disclosed
US-5543480-A USING GROUP 4 METAL COMPLEXES CONTAINING A DIENE MOIETY THE DOW CHEMICAL COMPANY (US) 1996-08-06 US disclosed
WO-1996000742-A1 POLYMERIZATION PROCESS USING DIENE CONTAINING CATALYSTS THE DOW CHEMICAL COMPANY (US) 1996-01-11 WO disclosed